| MolName | [4-[(Z)-[[4-[(2-phenylacetyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2-phenylacetate |
| MolecularFormula | C30H25N3O4 |
| Smiles | O=C(Cc1ccccc1)Nc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(Cc1ccccc1)=O)=O |
| InChI | InChI=1S/C30H25N3O4/c34-28(19-22-7-3-1-4-8-22)32-26-15-13-25(14-16-26)30(36)33-31-21-24-11-17-27(18-12-24)37-29(35)20-23-9-5-2-6-10-23/h1-18,21H,19-20H2,(H,32,34)(H,33,36) |
| InChIK | SOAMICPAKKKQLT-UHFFFAOYSA-N |
| TotalMolweight | 491.546 |
| Molweight | 491.546 |
| MonoisotopicMass | 491.184507 |
| CLogP | 5.7758 |
| CLogS | -6.633 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 390.99 |
| Relative PSA | 0.21369 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7027 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[4-[(2-phenylacetyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2-phenylacetate | 2 - [4-[(Z)-[[4-[(2-phenylacetyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2-phenylacetate